[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C38H41N5O4 — CID 23589138

About [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 23589138) has the molecular formula C38H41N5O4 and a molecular weight of 631.78 g/mol. Its IUPAC name is [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 23589138
• Molecular Formula: C38H41N5O4
• Molecular Weight: 631.78 g/mol
• Exact Mass: 631.32
• IUPAC Name: [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1
• InChI: InChI=1S/C38H41N5O4/c44-36(41-20-22-42(23-21-41)38(46)35-14-8-24-47-35)30-13-7-17-43(27-30)32-15-18-40(19-16-32)37(45)31-25-33(28-9-3-1-4-10-28)39-34(26-31)29-11-5-2-6-12-29/h1-6,8-12,14,24-26,30,32H,7,13,15-23,27H2/t30-/m1/s1
• InChIKey: PTLYMIZTCAPROX-SSEXGKCCSA-N
• XLogP: 5.31
• TPSA: 90.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.78
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

The IUPAC name of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 23589138) is [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

What is the SMILES notation for [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

The canonical SMILES for [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1.

What is the InChIKey of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

The InChIKey is PTLYMIZTCAPROX-SSEXGKCCSA-N. The full InChI is InChI=1S/C38H41N5O4/c44-36(41-20-22-42(23-21-41)38(46)35-14-8-24-47-35)30-13-7-17-43(27-30)32-15-18-40(19-16-32)37(45)31-25-33(28-9-3-1-4-10-28)39-34(26-31)29-11-5-2-6-12-29/h1-6,8-12,14,24-26,30,32H,7,13,15-23,27H2/t30-/m1/s1.

What are the key properties of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 631.78 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23589138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).